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Information card for entry 7020720
Preview
| Coordinates | 7020720.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C53 H72 Ag Cl2 N7 O5 |
|---|---|
| Calculated formula | C53 H72 Ag Cl2 N7 O5 |
| SMILES | [Ag]12([n]3c(cc([nH]3)c3ccc(OCCCCCCCCCCCC)cc3)c3cccc[n]23)[n]2[nH]c(cc2c2[n]1cccc2)c1ccc(OCCCCCCCCCCCC)cc1.N(=O)(=O)[O-].C(Cl)Cl |
| Title of publication | Silver-pyrazole complexes as hybrid multifunctional materials with metallomesogenic and photoluminescent behaviour. |
| Authors of publication | Ovejero, Paloma; Asensio, Eduardo; Heras, José Vicente; Campo, José Antonio; Cano, Mercedes; Torres, M. Rosario; Núñez, Cristina; Lodeiro, Carlos |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 6 |
| Pages of publication | 2107 - 2120 |
| a | 12.5359 ± 0.0017 Å |
| b | 13.0895 ± 0.0016 Å |
| c | 17.37 ± 0.002 Å |
| α | 96.276 ± 0.002° |
| β | 92.882 ± 0.002° |
| γ | 102.947 ± 0.003° |
| Cell volume | 2752.9 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.3376 |
| Residual factor for significantly intense reflections | 0.0852 |
| Weighted residual factors for significantly intense reflections | 0.1732 |
| Weighted residual factors for all reflections included in the refinement | 0.2262 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.95 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7020720.cif |
| 208944 | 2018-07-10 | Fixing several Z values and formula |
7020720.cif |
| 179912 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/07. |
7020720.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7020720.cif |
| 73649 | 2013-02-20 | cif/ Adding structures of 7020719, 7020720 via cif-deposit CGI script. |
7020720.cif |
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